(5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine

C7H11N5 — CID 136801027

IUPAC(5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine
SMILESCC1=C(CN)Cn2ncnc2N1
InChIInChI=1S/C7H11N5/c1-5-6(2-8)3-12-7(11-5)9-4-10-12/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyGIDLMMSWJZQBQB-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.06
Rot. Bonds1

About (5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine

(5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine (PubChem CID 136801027) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is (5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine.

Molecular Properties

Compound Name(5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine
PubChem CID136801027
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name(5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine
SMILESCC1=C(CN)Cn2ncnc2N1
InChIInChI=1S/C7H11N5/c1-5-6(2-8)3-12-7(11-5)9-4-10-12/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyGIDLMMSWJZQBQB-UHFFFAOYSA-N
XLogP-0.06
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Dimethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135976745
5-Methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 136456978
5,6-Dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 173341710
N,N,5-trimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 352450
N-ethyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine
CID 103071547
N-methyl-2-(1,2,4-triazol-1-ylmethyl)prop-2-en-1-amine
CID 103071548
(4,5-dimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 104042648
(4,5,7-trimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 104042650
6-Methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136694502
(5,7-Dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine
CID 136801028

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine?
The IUPAC name of (5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine (CID 136801027) is (5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine.
What is the SMILES notation for (5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine?
The canonical SMILES for (5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine is CC1=C(CN)Cn2ncnc2N1.
What is the InChIKey of (5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine?
The InChIKey is GIDLMMSWJZQBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-5-6(2-8)3-12-7(11-5)9-4-10-12/h4H,2-3,8H2,1H3,(H,9,10,11).
What are the key properties of (5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine?
(5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine has a molecular weight of 165.20 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine is sourced from PubChem (CID 136801027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).