N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine

C13H19N5O — CID 62756157

IUPACN-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCC(C)Oc1ncccc1CNCc1cn(C)nn1
InChIInChI=1S/C13H19N5O/c1-10(2)19-13-11(5-4-6-15-13)7-14-8-12-9-18(3)17-16-12/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyAQPKLLDNKCABAG-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.29
Rot. Bonds6

About N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine

N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine (PubChem CID 62756157) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
PubChem CID62756157
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
SMILESCC(C)Oc1ncccc1CNCc1cn(C)nn1
InChIInChI=1S/C13H19N5O/c1-10(2)19-13-11(5-4-6-15-13)7-14-8-12-9-18(3)17-16-12/h4-6,9-10,14H,7-8H2,1-3H3
InChIKeyAQPKLLDNKCABAG-UHFFFAOYSA-N
XLogP1.29
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(6-methoxy-2-pyridinyl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 63984677
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 115331555
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 62757557
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62742368
2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 114527554
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 102834972
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
3-chloro-2-[[(2-propan-2-yloxy-3-pyridinyl)methylamino]methyl]phenol
CID 78959442
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 107911473

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
The IUPAC name of N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine (CID 62756157) is N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
The canonical SMILES for N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine is CC(C)Oc1ncccc1CNCc1cn(C)nn1.
What is the InChIKey of N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
The InChIKey is AQPKLLDNKCABAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)19-13-11(5-4-6-15-13)7-14-8-12-9-18(3)17-16-12/h4-6,9-10,14H,7-8H2,1-3H3.
What are the key properties of N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine?
N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine has a molecular weight of 261.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyltriazol-4-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 62756157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).