cis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine

C11H15N5 — CID 106323098

IUPACcis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine
SMILESCc1cc2nnc([C@@H]3CC[C@H](N)C3)n2cn1
InChIInChI=1S/C11H15N5/c1-7-4-10-14-15-11(16(10)6-13-7)8-2-3-9(12)5-8/h4,6,8-9H,2-3,5,12H2,1H3/t8-,9+/m1/s1
InChIKeyUNKSMWGGICLFMW-BDAKNGLRSA-N
MW217.28 g/mol
LogP1.03
Rot. Bonds1

About cis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine

cis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine (PubChem CID 106323098) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is cis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine
PubChem CID106323098
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Namecis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine
SMILESCc1cc2nnc([C@@H]3CC[C@H](N)C3)n2cn1
InChIInChI=1S/C11H15N5/c1-7-4-10-14-15-11(16(10)6-13-7)8-2-3-9(12)5-8/h4,6,8-9H,2-3,5,12H2,1H3/t8-,9+/m1/s1
InChIKeyUNKSMWGGICLFMW-BDAKNGLRSA-N
XLogP1.03
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine
CID 62042819
3-(4-tert-butylcyclohexyl)-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 62719247
cis-(1S,3R)-3-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 106324408
(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 175891290
3-cyclopropyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144807
trans-(1S,3S)-3-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)cyclopentan-1-amine;hydrochloride
CID 136994711
3-[(1S,3R)-3-aminocyclohexyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide
CID 175891099
cis-(1R,3S)-3-[7-(difluoromethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
CID 168894166
3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 65348038
methyl 3-[(1S,3R)-3-aminocyclohexyl]-7-methoxy-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 175890903
4-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)oxan-4-amine
CID 113280344
4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclohexan-1-amine
CID 60810985

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine (CID 106323098) is cis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine is Cc1cc2nnc([C@@H]3CC[C@H](N)C3)n2cn1.
What is the InChIKey of cis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine?
The InChIKey is UNKSMWGGICLFMW-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H15N5/c1-7-4-10-14-15-11(16(10)6-13-7)8-2-3-9(12)5-8/h4,6,8-9H,2-3,5,12H2,1H3/t8-,9+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine?
cis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine has a molecular weight of 217.28 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 106323098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).