N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine

C10H16N6 — CID 115679651

IUPACN-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine
SMILESCC(CCn1cncn1)NCc1ccn[nH]1
InChIInChI=1S/C10H16N6/c1-9(3-5-16-8-11-7-14-16)12-6-10-2-4-13-15-10/h2,4,7-9,12H,3,5-6H2,1H3,(H,13,15)
InChIKeyBBIFDTCVIDDGII-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.57
Rot. Bonds6

About N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine

N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine (PubChem CID 115679651) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine
PubChem CID115679651
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine
SMILESCC(CCn1cncn1)NCc1ccn[nH]1
InChIInChI=1S/C10H16N6/c1-9(3-5-16-8-11-7-14-16)12-6-10-2-4-13-15-10/h2,4,7-9,12H,3,5-6H2,1H3,(H,13,15)
InChIKeyBBIFDTCVIDDGII-UHFFFAOYSA-N
XLogP0.57
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine (CID 115679651) is N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine is CC(CCn1cncn1)NCc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine?
The InChIKey is BBIFDTCVIDDGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-9(3-5-16-8-11-7-14-16)12-6-10-2-4-13-15-10/h2,4,7-9,12H,3,5-6H2,1H3,(H,13,15).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine?
N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine has a molecular weight of 220.28 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butan-2-amine is sourced from PubChem (CID 115679651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).