1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen

C14H24N6 — CID 168893899

IUPAC1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen
SMILESC=N/C(N)=N\[C@@H]1CCC[C@H](c2nnc3n2CCCC3)C1.[H][H]
InChIInChI=1S/C14H22N6.H2/c1-16-14(15)17-11-6-4-5-10(9-11)13-19-18-12-7-2-3-8-20(12)13;/h10-11H,1-9H2,(H2,15,17);1H/t10-,11+;/m0./s1
InChIKeyZHJZWUMZEBMLKH-VZXYPILPSA-N
MW276.39 g/mol
LogP1.90
Rot. Bonds2

About 1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen

1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen (PubChem CID 168893899) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen.

Molecular Properties

Compound Name1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen
PubChem CID168893899
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen
SMILESC=N/C(N)=N\[C@@H]1CCC[C@H](c2nnc3n2CCCC3)C1.[H][H]
InChIInChI=1S/C14H22N6.H2/c1-16-14(15)17-11-6-4-5-10(9-11)13-19-18-12-7-2-3-8-20(12)13;/h10-11H,1-9H2,(H2,15,17);1H/t10-,11+;/m0./s1
InChIKeyZHJZWUMZEBMLKH-VZXYPILPSA-N
XLogP1.90
TPSA81.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen?
The IUPAC name of 1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen (CID 168893899) is 1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen.
What is the SMILES notation for 1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen?
The canonical SMILES for 1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen is C=N/C(N)=N\[C@@H]1CCC[C@H](c2nnc3n2CCCC3)C1.[H][H].
What is the InChIKey of 1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen?
The InChIKey is ZHJZWUMZEBMLKH-VZXYPILPSA-N. The full InChI is InChI=1S/C14H22N6.H2/c1-16-14(15)17-11-6-4-5-10(9-11)13-19-18-12-7-2-3-8-20(12)13;/h10-11H,1-9H2,(H2,15,17);1H/t10-,11+;/m0./s1.
What are the key properties of 1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen?
1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen has a molecular weight of 276.39 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-[(1R,3S)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]guanidine;molecular hydrogen is sourced from PubChem (CID 168893899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).