4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine

C12H18N6 — CID 65360572

IUPAC4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine
SMILESCCCNC(c1ncn[nH]1)c1c(C)ccnc1N
InChIInChI=1S/C12H18N6/c1-3-5-14-10(12-16-7-17-18-12)9-8(2)4-6-15-11(9)13/h4,6-7,10,14H,3,5H2,1-2H3,(H2,13,15)(H,16,17,18)
InChIKeyVCLLVNXHJZAEDX-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.18
Rot. Bonds5

About 4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine

4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine (PubChem CID 65360572) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine
PubChem CID65360572
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine
SMILESCCCNC(c1ncn[nH]1)c1c(C)ccnc1N
InChIInChI=1S/C12H18N6/c1-3-5-14-10(12-16-7-17-18-12)9-8(2)4-6-15-11(9)13/h4,6-7,10,14H,3,5H2,1-2H3,(H2,13,15)(H,16,17,18)
InChIKeyVCLLVNXHJZAEDX-UHFFFAOYSA-N
XLogP1.18
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360144
N-[(2-methoxy-3,4-dimethylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 103433605
3-[(6-methoxypyridazin-3-yl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 103374843
3-[(5-chloro-2-fluorophenyl)-(propylamino)methyl]-4-methylpyridin-2-amine
CID 114886614
N-[(3-methylthiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 79988912
3-[2,2-dimethoxy-1-(propylamino)ethyl]-4-methylpyridin-2-amine
CID 79493587
3-[2-methoxy-1-(propylamino)propyl]-4-methylpyridin-2-amine
CID 79615875
N-[(3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360196
N-[(2-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 102832783
N-[1H-1,2,4-triazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65360853
3-[(2,6-dimethyl-4-pyridinyl)-(ethylamino)methyl]-4-methylpyridin-2-amine
CID 107503949
N-[(4-propoxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360258

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine (CID 65360572) is 4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine is CCCNC(c1ncn[nH]1)c1c(C)ccnc1N.
What is the InChIKey of 4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine?
The InChIKey is VCLLVNXHJZAEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-5-14-10(12-16-7-17-18-12)9-8(2)4-6-15-11(9)13/h4,6-7,10,14H,3,5H2,1-2H3,(H2,13,15)(H,16,17,18).
What are the key properties of 4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine?
4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine has a molecular weight of 246.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[propylamino(1H-1,2,4-triazol-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 65360572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).