(2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine

C9H14N6 — CID 65363418

IUPAC(2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCCCn1nccc1C(N)c1ncn[nH]1
InChIInChI=1S/C9H14N6/c1-2-5-15-7(3-4-13-15)8(10)9-11-6-12-14-9/h3-4,6,8H,2,5,10H2,1H3,(H,11,12,14)
InChIKeyLQBXIGKRPOGJDL-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.46
Rot. Bonds4

About (2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine

(2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 65363418) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is (2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID65363418
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name(2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCCCn1nccc1C(N)c1ncn[nH]1
InChIInChI=1S/C9H14N6/c1-2-5-15-7(3-4-13-15)8(10)9-11-6-12-14-9/h3-4,6,8H,2,5,10H2,1H3,(H,11,12,14)
InChIKeyLQBXIGKRPOGJDL-UHFFFAOYSA-N
XLogP0.46
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-propylpyrazol-3-yl)-pyridin-2-ylmethanamine
CID 63976573
(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857696
2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
(3,4-dimethylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857375
(4-methylthiadiazol-5-yl)-(2-propylpyrazol-3-yl)methanamine
CID 105148203
(2-chlorofuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 106692049
(3-chloro-4-iodophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 103215295
1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine
CID 115857588
(2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 114104356
(3,4-difluorophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63977003
naphthalen-1-yl-(2-propylpyrazol-3-yl)methanamine
CID 63976392
(6-methyl-2-pyridinyl)-(2-propylpyrazol-3-yl)methanamine
CID 63974068

Frequently Asked Questions

What is the IUPAC name of (2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine (CID 65363418) is (2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine is CCCn1nccc1C(N)c1ncn[nH]1.
What is the InChIKey of (2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is LQBXIGKRPOGJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-2-5-15-7(3-4-13-15)8(10)9-11-6-12-14-9/h3-4,6,8H,2,5,10H2,1H3,(H,11,12,14).
What are the key properties of (2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
(2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 206.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylpyrazol-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 65363418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).