N-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine

C9H14N4 — CID 58431212

IUPACN-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine
SMILESCC(C)NC1(c2nccnn2)CC1
InChIInChI=1S/C9H14N4/c1-7(2)12-9(3-4-9)8-10-5-6-11-13-8/h5-7,12H,3-4H2,1-2H3
InChIKeyMZUUIELMAFIGMW-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.86
Rot. Bonds3

About N-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine

N-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine (PubChem CID 58431212) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine
PubChem CID58431212
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine
SMILESCC(C)NC1(c2nccnn2)CC1
InChIInChI=1S/C9H14N4/c1-7(2)12-9(3-4-9)8-10-5-6-11-13-8/h5-7,12H,3-4H2,1-2H3
InChIKeyMZUUIELMAFIGMW-UHFFFAOYSA-N
XLogP0.86
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine?
The IUPAC name of N-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine (CID 58431212) is N-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine.
What is the SMILES notation for N-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine?
The canonical SMILES for N-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine is CC(C)NC1(c2nccnn2)CC1.
What is the InChIKey of N-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine?
The InChIKey is MZUUIELMAFIGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7(2)12-9(3-4-9)8-10-5-6-11-13-8/h5-7,12H,3-4H2,1-2H3.
What are the key properties of N-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine?
N-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine has a molecular weight of 178.24 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(1,2,4-triazin-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 58431212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).