N-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C12H18N6 — CID 167864511

IUPACN-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCCn1cncc1CNc1nnc2n1CCCC2
InChIInChI=1S/C12H18N6/c1-2-17-9-13-7-10(17)8-14-12-16-15-11-5-3-4-6-18(11)12/h7,9H,2-6,8H2,1H3,(H,14,16)
InChIKeyBUTDKOQVEFJPCJ-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.44
Rot. Bonds4

About N-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine

N-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 167864511) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID167864511
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCCn1cncc1CNc1nnc2n1CCCC2
InChIInChI=1S/C12H18N6/c1-2-17-9-13-7-10(17)8-14-12-16-15-11-5-3-4-6-18(11)12/h7,9H,2-6,8H2,1H3,(H,14,16)
InChIKeyBUTDKOQVEFJPCJ-UHFFFAOYSA-N
XLogP1.44
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 86801691
N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 146104643
N-[(3,4-dimethoxyphenyl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-amine
CID 4752748
N-[(2,5-dimethylphenyl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-amine
CID 4752695
N-[(3-ethylimidazol-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)aniline
CID 66133608
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 66133644
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide
CID 122569446
N-[(3-ethylimidazol-4-yl)methyl]-2-methylcyclopropan-1-amine
CID 66135498
N-[(3-ethylimidazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83007196
N-[(3-ethylimidazol-4-yl)methyl]-2,3,4-trifluoroaniline
CID 66118850
[6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134710262

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 167864511) is N-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine is CCn1cncc1CNc1nnc2n1CCCC2.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is BUTDKOQVEFJPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-2-17-9-13-7-10(17)8-14-12-16-15-11-5-3-4-6-18(11)12/h7,9H,2-6,8H2,1H3,(H,14,16).
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
N-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 246.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 167864511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).