N-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine

C7H11N3O — CID 83862568

IUPACN-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine
SMILESCNc1n[nH]c2c1CCOC2
InChIInChI=1S/C7H11N3O/c1-8-7-5-2-3-11-4-6(5)9-10-7/h2-4H2,1H3,(H2,8,9,10)
InChIKeyZCXLMXNSFXBMLJ-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.52
Rot. Bonds1

About N-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine

N-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine (PubChem CID 83862568) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is N-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine
PubChem CID83862568
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC NameN-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine
SMILESCNc1n[nH]c2c1CCOC2
InChIInChI=1S/C7H11N3O/c1-8-7-5-2-3-11-4-6(5)9-10-7/h2-4H2,1H3,(H2,8,9,10)
InChIKeyZCXLMXNSFXBMLJ-UHFFFAOYSA-N
XLogP0.52
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine?
The IUPAC name of N-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine (CID 83862568) is N-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine.
What is the SMILES notation for N-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine?
The canonical SMILES for N-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine is CNc1n[nH]c2c1CCOC2.
What is the InChIKey of N-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine?
The InChIKey is ZCXLMXNSFXBMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-8-7-5-2-3-11-4-6(5)9-10-7/h2-4H2,1H3,(H2,8,9,10).
What are the key properties of N-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine?
N-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine has a molecular weight of 153.19 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazol-3-amine is sourced from PubChem (CID 83862568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).