2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine

C10H16N4 — CID 130494531

IUPAC2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine
SMILESNC(c1cn[nH]n1)C1CC2CCC1C2
InChIInChI=1S/C10H16N4/c11-10(9-5-12-14-13-9)8-4-6-1-2-7(8)3-6/h5-8,10H,1-4,11H2,(H,12,13,14)
InChIKeyJZXFAGGTBONMQK-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.24
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine

2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine (PubChem CID 130494531) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine
PubChem CID130494531
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine
SMILESNC(c1cn[nH]n1)C1CC2CCC1C2
InChIInChI=1S/C10H16N4/c11-10(9-5-12-14-13-9)8-4-6-1-2-7(8)3-6/h5-8,10H,1-4,11H2,(H,12,13,14)
InChIKeyJZXFAGGTBONMQK-UHFFFAOYSA-N
XLogP1.24
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114660323
2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523105
2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 114246839
amino(2-bicyclo[2.2.1]heptanyl)methanol
CID 166969475
2-bicyclo[2.2.1]heptanyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299135
2-(2H-triazol-4-yl)ethyl (1S,2S,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 98768095
2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114660326
2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine
CID 113383478
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103012100
2-bicyclo[2.2.1]heptanyl-(3-propylphenyl)methanamine
CID 116545069
4-[2-amino-2-[(2S)-2-bicyclo[2.2.1]heptanyl]ethyl]aniline
CID 68510516
2-bicyclo[2.2.1]heptanyl-(3,4-dimethoxyphenyl)methanamine
CID 61364735

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine (CID 130494531) is 2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine is NC(c1cn[nH]n1)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine?
The InChIKey is JZXFAGGTBONMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c11-10(9-5-12-14-13-9)8-4-6-1-2-7(8)3-6/h5-8,10H,1-4,11H2,(H,12,13,14).
What are the key properties of 2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine?
2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine has a molecular weight of 192.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl(2H-triazol-4-yl)methanamine is sourced from PubChem (CID 130494531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).