N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine

C9H11N5 — CID 60837241

IUPACN-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine
SMILESc1cnc2nnc(CNC3CC3)n2c1
InChIInChI=1S/C9H11N5/c1-4-10-9-13-12-8(14(9)5-1)6-11-7-2-3-7/h1,4-5,7,11H,2-3,6H2
InChIKeyWLDNHRQTTGTBBX-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.38
Rot. Bonds3

About N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine

N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine (PubChem CID 60837241) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine
PubChem CID60837241
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine
SMILESc1cnc2nnc(CNC3CC3)n2c1
InChIInChI=1S/C9H11N5/c1-4-10-9-13-12-8(14(9)5-1)6-11-7-2-3-7/h1,4-5,7,11H,2-3,6H2
InChIKeyWLDNHRQTTGTBBX-UHFFFAOYSA-N
XLogP0.38
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
CID 134088447
N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine
CID 103294067
N-(imidazo[1,5-a]pyridin-3-ylmethyl)cyclopropanamine
CID 116993073
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 139230156
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 62690629
3-(piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 62310658
3-[(cyclobutylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117257439
methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257442
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine
CID 63806148
3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117257305
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208

Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine (CID 60837241) is N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine is c1cnc2nnc(CNC3CC3)n2c1.
What is the InChIKey of N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine?
The InChIKey is WLDNHRQTTGTBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-4-10-9-13-12-8(14(9)5-1)6-11-7-2-3-7/h1,4-5,7,11H,2-3,6H2.
What are the key properties of N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine?
N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine has a molecular weight of 189.22 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 60837241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).