N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide

C10H17N5O2 — CID 112735728

IUPACN-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2(CN)CCOCC2)n1
InChIInChI=1S/C10H17N5O2/c1-15-12-6-8(14-15)9(16)13-10(7-11)2-4-17-5-3-10/h6H,2-5,7,11H2,1H3,(H,13,16)
InChIKeyJOGWYQUIDOXLHO-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.95
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide

N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide (PubChem CID 112735728) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide
PubChem CID112735728
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2(CN)CCOCC2)n1
InChIInChI=1S/C10H17N5O2/c1-15-12-6-8(14-15)9(16)13-10(7-11)2-4-17-5-3-10/h6H,2-5,7,11H2,1H3,(H,13,16)
InChIKeyJOGWYQUIDOXLHO-UHFFFAOYSA-N
XLogP-0.95
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide (CID 112735728) is N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide is Cn1ncc(C(=O)NC2(CN)CCOCC2)n1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide?
The InChIKey is JOGWYQUIDOXLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-15-12-6-8(14-15)9(16)13-10(7-11)2-4-17-5-3-10/h6H,2-5,7,11H2,1H3,(H,13,16).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide?
N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-2-methyltriazole-4-carboxamide is sourced from PubChem (CID 112735728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).