N-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine

C10H16N6 — CID 65360524

IUPACN-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)c1ncn[nH]1
InChIInChI=1S/C10H16N6/c1-3-4-11-9(10-12-7-13-15-10)8-5-14-16(2)6-8/h5-7,9,11H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyTURYUGCIDKVOOX-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.63
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine

N-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine (PubChem CID 65360524) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
PubChem CID65360524
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)c1ncn[nH]1
InChIInChI=1S/C10H16N6/c1-3-4-11-9(10-12-7-13-15-10)8-5-14-16(2)6-8/h5-7,9,11H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyTURYUGCIDKVOOX-UHFFFAOYSA-N
XLogP0.63
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)propyl]-2-methylpyrimidin-4-amine
CID 50978867
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-amine
CID 71928273
1-(4-methylpyrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
CID 53579362
N-[(1-butyltetrazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53615626
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 86808759
(1S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 164639706
6-N-methyl-2-[3-methyl-1-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
CID 152418914
8-(1-Methylpyrazol-4-yl)-3-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792181
8-(1-Methylpyrazol-4-yl)-3-(1,1,2,2-tetrafluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792195
8-(1-Methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792208
8-(1-Methylpyrazol-4-yl)-3-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792241
3-(Difluoromethyl)-8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 113737258

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine (CID 65360524) is N-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine is CCCNC(c1cnn(C)c1)c1ncn[nH]1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The InChIKey is TURYUGCIDKVOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-3-4-11-9(10-12-7-13-15-10)8-5-14-16(2)6-8/h5-7,9,11H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of N-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
N-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine has a molecular weight of 220.28 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 65360524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).