N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine

C10H18N4 — CID 60978223

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine
SMILESc1n[nH]c(CNC2CCCCCC2)n1
InChIInChI=1S/C10H18N4/c1-2-4-6-9(5-3-1)11-7-10-12-8-13-14-10/h8-9,11H,1-7H2,(H,12,13,14)
InChIKeyNJELHRNLXRYRRO-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.62
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine

N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine (PubChem CID 60978223) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine
PubChem CID60978223
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine
SMILESc1n[nH]c(CNC2CCCCCC2)n1
InChIInChI=1S/C10H18N4/c1-2-4-6-9(5-3-1)11-7-10-12-8-13-14-10/h8-9,11H,1-7H2,(H,12,13,14)
InChIKeyNJELHRNLXRYRRO-UHFFFAOYSA-N
XLogP1.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine
CID 64545973
4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
CID 62709177
3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
CID 106872008
N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54884743
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
CID 62590368
ethyl 4-(1H-1,2,4-triazol-5-ylmethylamino)piperidine-1-carboxylate
CID 54884832
N-(1H-1,2,4-triazol-5-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 54884775
2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine
CID 130554368
N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide
CID 54885071
1-cyclopentyl-3-(1H-1,2,4-triazol-5-ylmethylamino)pyrrolidine-2,5-dione
CID 54885174
1-cyclobutyl-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 116656324
2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine
CID 82727643

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine (CID 60978223) is N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine is c1n[nH]c(CNC2CCCCCC2)n1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine?
The InChIKey is NJELHRNLXRYRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-4-6-9(5-3-1)11-7-10-12-8-13-14-10/h8-9,11H,1-7H2,(H,12,13,14).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine?
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine has a molecular weight of 194.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine is sourced from PubChem (CID 60978223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).