3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine

C10H17N5 — CID 66275388

IUPAC3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NCC2CC3CCC2C3)n[nH]1
InChIInChI=1S/C10H17N5/c11-9-13-10(15-14-9)12-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H4,11,12,13,14,15)
InChIKeyJNPNSMARZMLVMC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.24
Rot. Bonds3

About 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine

3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine (PubChem CID 66275388) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine
PubChem CID66275388
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine
SMILESNc1nc(NCC2CC3CCC2C3)n[nH]1
InChIInChI=1S/C10H17N5/c11-9-13-10(15-14-9)12-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H4,11,12,13,14,15)
InChIKeyJNPNSMARZMLVMC-UHFFFAOYSA-N
XLogP1.24
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278129
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102762067
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80910192
3-N-(oxan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66277519
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80834683
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide
CID 63689393
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80834865
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63685729
3-N-ethyl-1H-1,2,4-triazole-3,5-diamine
CID 13045202
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 63687345
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzoxazole-2,4-diamine
CID 79893012
3-N-[(4-methylmorpholin-2-yl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 79071706

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine (CID 66275388) is 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine is Nc1nc(NCC2CC3CCC2C3)n[nH]1.
What is the InChIKey of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine?
The InChIKey is JNPNSMARZMLVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c11-9-13-10(15-14-9)12-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2,(H4,11,12,13,14,15).
What are the key properties of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine?
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine has a molecular weight of 207.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 66275388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).