4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine

C10H14N6 — CID 43436841

IUPAC4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nnc2n1CCCCC2
InChIInChI=1S/C10H14N6/c11-9-7(6-12-14-9)10-15-13-8-4-2-1-3-5-16(8)10/h6H,1-5H2,(H3,11,12,14)
InChIKeySJCMNNSBLRNAAH-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.98
Rot. Bonds1

About 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine

4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine (PubChem CID 43436841) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine
PubChem CID43436841
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nnc2n1CCCCC2
InChIInChI=1S/C10H14N6/c11-9-7(6-12-14-9)10-15-13-8-4-2-1-3-5-16(8)10/h6H,1-5H2,(H3,11,12,14)
InChIKeySJCMNNSBLRNAAH-UHFFFAOYSA-N
XLogP0.98
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine (CID 43436841) is 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1nnc2n1CCCCC2.
What is the InChIKey of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine?
The InChIKey is SJCMNNSBLRNAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c11-9-7(6-12-14-9)10-15-13-8-4-2-1-3-5-16(8)10/h6H,1-5H2,(H3,11,12,14).
What are the key properties of 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine?
4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine has a molecular weight of 218.26 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 43436841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).