1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C16H27N7O — CID 51105033

IUPAC1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNCc1nncn1C
InChIInChI=1S/C16H27N7O/c1-12(2)15-13(9-17-10-14-19-18-11-21(14)3)16(22(4)20-15)23-5-7-24-8-6-23/h11-12,17H,5-10H2,1-4H3
InChIKeyXCGHKSGCSPAZDQ-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.80
Rot. Bonds6

About 1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 51105033) has the molecular formula C16H27N7O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID51105033
Molecular FormulaC16H27N7O
Molecular Weight333.44 g/mol
Exact Mass333.23
IUPAC Name1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNCc1nncn1C
InChIInChI=1S/C16H27N7O/c1-12(2)15-13(9-17-10-14-19-18-11-21(14)3)16(22(4)20-15)23-5-7-24-8-6-23/h11-12,17H,5-10H2,1-4H3
InChIKeyXCGHKSGCSPAZDQ-UHFFFAOYSA-N
XLogP0.80
TPSA73.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(7-Methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethyl]morpholine
CID 12671250
2-ethyl-N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine dihydrochloride
CID 56898083
N~4~-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N~4~-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72854321
6-ethyl-N~4~-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N~4~,5-dimethylpyrimidine-2,4-diamine
CID 72858141
3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 86820492
N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-2,5,6-trimethylpyrimidin-4-amine
CID 72853847
5-ethyl-N~4~-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-6-methylpyrimidine-2,4-diamine
CID 72927426
(6S)-2-methyl-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
CID 129414575
6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
CID 164633271
N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 86884964
6-ethyl-5-fluoro-N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrimidin-4-amine
CID 131939242
1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 51105031

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 51105033) is 1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is CC(C)c1nn(C)c(N2CCOCC2)c1CNCc1nncn1C.
What is the InChIKey of 1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is XCGHKSGCSPAZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7O/c1-12(2)15-13(9-17-10-14-19-18-11-21(14)3)16(22(4)20-15)23-5-7-24-8-6-23/h11-12,17H,5-10H2,1-4H3.
What are the key properties of 1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 333.44 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 51105033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).