propane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine

C10H16N6 — CID 143245315

IUPACpropane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine
SMILESCCC.NCc1nc(-c2ncccn2)n[nH]1
InChIInChI=1S/C7H8N6.C3H8/c8-4-5-11-7(13-12-5)6-9-2-1-3-10-6;1-3-2/h1-3H,4,8H2,(H,11,12,13);3H2,1-2H3
InChIKeyBRKZHXUKUJTDLF-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.14
Rot. Bonds2

About propane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine

propane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 143245315) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is propane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Namepropane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine
PubChem CID143245315
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Namepropane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine
SMILESCCC.NCc1nc(-c2ncccn2)n[nH]1
InChIInChI=1S/C7H8N6.C3H8/c8-4-5-11-7(13-12-5)6-9-2-1-3-10-6;1-3-2/h1-3H,4,8H2,(H,11,12,13);3H2,1-2H3
InChIKeyBRKZHXUKUJTDLF-UHFFFAOYSA-N
XLogP1.14
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 63097229
(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine;hydrobromide
CID 146014408
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanamine
CID 114325427
[3-(4-ethylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 82487034
(3-quinolin-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 55163117
[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 66486752
2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 103445373
6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875217
3-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]benzonitrile
CID 55263306
(3-methoxy-1H-1,2,4-triazol-5-yl)methanamine
CID 83872219
[3-(4-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 106819878
N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 39850688

Frequently Asked Questions

What is the IUPAC name of propane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of propane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine (CID 143245315) is propane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for propane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for propane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine is CCC.NCc1nc(-c2ncccn2)n[nH]1.
What is the InChIKey of propane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is BRKZHXUKUJTDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6.C3H8/c8-4-5-11-7(13-12-5)6-9-2-1-3-10-6;1-3-2/h1-3H,4,8H2,(H,11,12,13);3H2,1-2H3.
What are the key properties of propane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine?
propane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 220.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propane;(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 143245315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).